SCHEMBL9715677

SCHEMBL9715677

C[C@@](C(=O)O)(N(CCl)c1ccccc1)P(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALDH1A1 P00352 8/20 0.39
HTT P42858 5/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 3/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 3/20 0.35
GLA P06280 2/20 0.35
PAX8 Q06710 3/20 0.34
FDPS P14324 2/20 0.34
MAPT P10636 1/20 0.34
PTPN1 P18031 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7363687 0.86 MEN1 (0.40) KMT2ASMN1; SMN2MEN1CYP2C9CYP2C19
SCHEMBL10482591 0.68 KMT2A (0.37) KMT2ASMN1; SMN2MEN1CYP2C9CYP2C19
SCHEMBL3876432 0.67 KMT2A (0.47) KMT2ASMN1; SMN2MEN1CYP2C9CYP2C19
SCHEMBL28701694 0.65 KMT2A (0.44) KMT2ASMN1; SMN2MEN1CYP2C9CYP2C19
SCHEMBL2444857 0.64 KMT2A (0.47) KMT2ASMN1; SMN2MEN1CYP2C9CYP2C19
SCHEMBL17260384 0.64 KMT2A (0.43) KMT2ASMN1; SMN2MEN1CYP2C9CYP2C19
SCHEMBL28175766 0.64 KMT2A (0.43) KMT2ASMN1; SMN2MEN1CYP2C9CYP2C19
SCHEMBL7363683 0.64 KMT2A (0.40) KMT2ASMN1; SMN2MEN1CYP2C9CYP2C19
SCHEMBL27833672 0.63 LMNA (0.38) ALDH1A1LMNATSHRFDPS
Phosphoric Acid SCHEMBL1242659 0.62 ALDH1A1 (0.50) KMT2AMEN1CYP2C9CYP2C19CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994007913-A1 PEPTIDE ANTAGONISTS OF SH2 BINDING AND THERAPEUTIC USES THEREOF WARNER-LAMBERT COMPANY (US) 1994-04-14 WO disclosed